1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O3/c29-23(9-8-22-25-24(26-31-22)19-4-2-1-3-5-19)28-13-11-27(12-14-28)17-18-6-7-21-20(16-18)10-15-30-21/h1-7,16H,8-15,17H2/p+1